Crystallography Open Database

Information card for entry 4504412

Preview

Coordinates	4504412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28 Cd N8 S2
Calculated formula	C40 H28 Cd N8 S2
Title of publication	Cadmium−Porphyrin Coordination Networks: Rich Coordination Modes and Three-Dimensional Four-Connected CdSO4and (3,5)-Connected hms Nets
Authors of publication	Zheng, Nanfeng; Zhang, Jian; Bu, Xianhui; Feng, Pingyun
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	12
Pages of publication	2576
a	12.852 ± 0.007 Å
b	15.668 ± 0.007 Å
c	20.39 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	4106 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.2047
Weighted residual factors for all reflections included in the refinement	0.2427
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179579 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/44.	4504412.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504412.cif
45115	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504412 via cif-deposit CGI script.	4504412.cif