Crystallography Open Database

Information card for entry 4513265

Preview

Coordinates	4513265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H40 Co4 N2 O22
Calculated formula	C54 H28 Co4 N2 O19
Title of publication	Polynuclear Ni(II)/Co(II)/Mn(II) Complexes Based on Terphenyl‒Tetracarboxylic Acid Ligand: Crystal Structures and Research of Magnetic Properties
Authors of publication	Zhang, Lin; Liu, Lu; Huang, Chao; Han, Xiao; Guo, Li’an; Xu, Hong; Hou, Hongwei; Fan, Yaoting
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	7
Pages of publication	3426
a	9.495 ± 0.0019 Å
b	15.284 ± 0.003 Å
c	19.639 ± 0.004 Å
α	109.44 ± 0.03°
β	93.93 ± 0.03°
γ	103.48 ± 0.03°
Cell volume	2580.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1114
Residual factor for significantly intense reflections	0.0868
Weighted residual factors for significantly intense reflections	0.1982
Weighted residual factors for all reflections included in the refinement	0.2183
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
140059 (current)	2015-07-05	cif/ Updating files of 4513264, 4513265, 4513266 Original log message: Adding full bibliography for 4513264--4513266.cif.	4513265.cif
139505	2015-06-24	cif/ Adding structures of 4513264, 4513265, 4513266 via cif-deposit CGI script.	4513265.cif