Crystallography Open Database

Information card for entry 4316036

Preview

Coordinates	4316036.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Co(TPP)(NO)]
Formula	C44 H28 Co N5 O
Calculated formula	C44 H28 Co N5 O
Title of publication	Dynamics of NO Motion in Solid-State [Co(tetraphenylporphinato)(NO)]
Authors of publication	Laura M. Grande; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	6552 - 6557
a	9.711 ± 0.0019 Å
b	10.17 ± 0.002 Å
c	10.556 ± 0.002 Å
α	80.31 ± 0.03°
β	64.08 ± 0.03°
γ	67.57 ± 0.03°
Cell volume	866.7 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179240 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/60.	4316036.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316036.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316036.cif
11788	2011-02-22	cif/4/ Redepositing CIFs that were formally processed with an old version of cif_fix_values script.	4316036.cif
9211	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 4316036 via cif-deposit CGI script.	4316036.cif