Crystallography Open Database

Information card for entry 4510753

Preview

Coordinates	4510753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H36 Cu3 N8 O24
Calculated formula	C60 H36 Cu3 N8 O24
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	9.7258 ± 0.0008 Å
b	12.0425 ± 0.0008 Å
c	14.3006 ± 0.0013 Å
α	68.081 ± 0.001°
β	76.756 ± 0.001°
γ	69.911 ± 0.001°
Cell volume	1449.5 ± 0.2 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	0.1418
Residual factor for significantly intense reflections	0.0863
Weighted residual factors for significantly intense reflections	0.1649
Weighted residual factors for all reflections included in the refinement	0.2102
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4510753.cif
113146	2014-05-08	cif/ Adding structures of 4510749, 4510750, 4510751, 4510752, 4510753, 4510754 via cif-deposit CGI script.	4510753.cif