Crystallography Open Database

Information card for entry 4303140

Preview

Coordinates	4303140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Cu N2 O4 Re
Calculated formula	C10 H8 Cu N2 O4 Re
Title of publication	Ligand-Mediated Interconversion of Multiply-Interpenetrating Frameworks in CuI/ReVII-Oxide Hybrids
Authors of publication	Haisheng Lin; Paul A. Maggard
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8940 - 8946
a	10.8513 ± 0.0003 Å
b	12.9419 ± 0.0004 Å
c	15.6976 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2204.52 ± 0.12 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.058
Weighted residual factors for all reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.88
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
192276 (current)	2017-02-19	cif/4/ (antanas@echidna.ibt.lt) Changing the _atom_site_occupancy data item value from '.' to '1' for all fully occupied atom sites in entries 4020333, 4022067, 4024209, 4024679, 4024681, 4024682, 4025244, 4100722, 4101910, 4303140, 4303141, 4303739, 4305417, 4305418, 4308230, 4308235, 4312548, 4313400, 4313401, 4313402, 4317545, 4317905, 4319035, 4319139, 4319140, 4319141, 4319142, 4321031, 4321032, 4321034, 4321035, 4321036, 4321037, 4321038, 4321902, 4322606, 4322699, 4324063, 4324064, 4324065.	4303140.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4303140.cif
132129	2015-02-20	cod/ (robertas@burundukas) Changed 'Insert the chemical name here' placeholders into '?': codsql 'select file, chemname from data where chemname like "%name%here%" ' -NB \ \| awk '{print $1}' \ \| codid2file \ \| xargs perl -0777 -i -pe \ 's/ \b (?i:_chemical_name_systematic) \b \K (?: \s (?!\n) )* \n ; \s* ( \? \s* .Insert\ the\ chemical\ name\ here\. \| insert\ name\ here \| name\ here \| Insert\ the\ systematic\ name\ here \| systematic\ name\ to\ be\ included\ here ) \s+ (?<= \n ) ; (?= \n ) / ?/ixms'	4303140.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303140.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303140.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303140.cif