Crystallography Open Database

Information card for entry 4510338

Preview

Coordinates	4510338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C240 H180 Cd17 Cl4 N24 O87
Calculated formula	C240.108 H144 Cd17 Cl4 N24 O87.162
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	30.4643 ± 0.0006 Å
b	30.4643 ± 0.0006 Å
c	10.0841 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	8104.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.1123
Residual factor for significantly intense reflections	0.0863
Weighted residual factors for significantly intense reflections	0.2568
Weighted residual factors for all reflections included in the refinement	0.2811
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	4510338.cif
109050	2014-04-07	cif/ Adding structures of 4510338 via cif-deposit CGI script.	4510338.cif