Crystallography Open Database

Information card for entry 4504411

Preview

Coordinates	4504411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H29 Cd N9
Calculated formula	C45 H29 Cd N9
SMILES	c12ccc3=C(c4ccc5n4[Cd]4([n]13)([n]1ccccc1)[n]1c(=C5c3ccncc3)ccc1C(=c1ccc(=C2c2ccncc2)n41)c1ccncc1)c1ccncc1
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	13.615 ± 0.002 Å
b	18.578 ± 0.003 Å
c	14.846 ± 0.003 Å
α	90°
β	103.143 ± 0.003°
γ	90°
Cell volume	3656.8 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.2294
Weighted residual factors for all reflections included in the refinement	0.2453
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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.	4504411.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504411.cif
45114	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504411 via cif-deposit CGI script.	4504411.cif