Crystallography Open Database

Information card for entry 4510337

Preview

Coordinates	4510337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H20 Cd1.25 N2 O6
Calculated formula	C32 H20 Cd1.25 N2 O6
Title of publication	Three Porphyrin-Encapsulating Metal‒Organic Materials with Ordered Metalloporphyrin Moieties
Authors of publication	Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	1526
a	14.05 ± 0.002 Å
b	20.156 ± 0.003 Å
c	20.378 ± 0.003 Å
α	90°
β	101.717 ± 0.006°
γ	90°
Cell volume	5650.6 ± 1.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0958
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.2111
Weighted residual factors for all reflections included in the refinement	0.2244
Goodness-of-fit parameter for all reflections included in the refinement	0.984
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179650 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/03.	4510337.cif
109049	2014-04-07	cif/ Adding structures of 4510337 via cif-deposit CGI script.	4510337.cif