Crystallography Open Database

Information card for entry 7213903

Preview

Coordinates	7213903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 N Ni O9
Calculated formula	C19 H23 N Ni O9
Title of publication	Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties
Authors of publication	Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	5
Pages of publication	784
a	7.631 ± 0.002 Å
b	9.033 ± 0.003 Å
c	14.87 ± 0.004 Å
α	106.822 ± 0.003°
β	96.077 ± 0.003°
γ	91.721 ± 0.003°
Cell volume	973.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0427
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7213903.cif
105204	2014-03-11	cif/ Adding structures of 7213902, 7213903, 7213904, 7213905 via cif-deposit CGI script.	7213903.cif