Crystallography Open Database

Information card for entry 4309513

Preview

Coordinates	4309513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Cl Cu N8 O7
Calculated formula	C24 H18 Cl Cu N8 O7
Title of publication	Spontaneously Resolved Chiral Three-Fold Interpenetrating Diamondoidlike Cu(II) Coordination Polymers with Temperature-Driven Crystal-to-Crystal Transformation
Authors of publication	Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang; Mark D. Smith; Cheng-Yong Su
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	6143 - 6145
a	13.7327 ± 0.0014 Å
b	16.4189 ± 0.0016 Å
c	16.5975 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3742.3 ± 0.6 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1625
Weighted residual factors for all reflections included in the refinement	0.1683
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179133 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/95.	4309513.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309513.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309513.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309513.cif