Crystallography Open Database

Information card for entry 4510752

Preview

Coordinates	4510752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H90 Cd6 N16 O45
Calculated formula	C120 H72 Cd6 N16 O45
Title of publication	A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties
Authors of publication	Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	7
Pages of publication	2756
a	9.9279 ± 0.0004 Å
b	15.4623 ± 0.0005 Å
c	20.6099 ± 0.0007 Å
α	77.156 ± 0.001°
β	83.149 ± 0.001°
γ	87.838 ± 0.001°
Cell volume	3062.4 ± 0.19 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179654 (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 4/51/07.	4510752.cif
113146	2014-05-08	cif/ Adding structures of 4510749, 4510750, 4510751, 4510752, 4510753, 4510754 via cif-deposit CGI script.	4510752.cif