Crystallography Open Database

Information card for entry 4504410

Preview

Coordinates	4504410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H72 Cd3 N18 O4 S2
Calculated formula	C90 H70 Cd3 N18 O4 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	16.221 ± 0.002 Å
b	19.434 ± 0.003 Å
c	14.943 ± 0.002 Å
α	90°
β	114.198 ± 0.002°
γ	90°
Cell volume	4296.7 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1292
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	4504410.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504410.cif
45113	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504410 via cif-deposit CGI script.	4504410.cif