Crystallography Open Database

Information card for entry 7211394

Preview

Coordinates	7211394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H102 Cu3 N16 O28
Calculated formula	C90 H86 Cu3 N16 O28
Title of publication	The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates
Authors of publication	Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	46
Pages of publication	9995
a	10.1362 ± 0.0013 Å
b	16.167 ± 0.002 Å
c	16.57 ± 0.002 Å
α	110.64 ± 0.002°
β	92.365 ± 0.002°
γ	102.114 ± 0.002°
Cell volume	2464.7 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.092
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
180444 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/13.	7211394.cif
91460	2013-12-13	cif/ Adding structures of 7211393, 7211394, 7211395, 7211396, 7211397, 7211398, 7211399, 7211400, 7211401 via cif-deposit CGI script.	7211394.cif