Crystallography Open Database

Information card for entry 7211831

Preview

Coordinates	7211831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H61 N5 Ni2 O24
Calculated formula	C39 H61 N5 Ni2 O24
Title of publication	Formation of a 2D supramolecular water framework via metal‒organic unit templating
Authors of publication	Meng, Qing-Guo; Yan, Si-Tang; Kong, Guo-Qiang; Yang, Xiu-Li; Wu, Chuan-De
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	3
Pages of publication	688
a	10.2608 ± 0.0008 Å
b	11.4119 ± 0.0008 Å
c	13.314 ± 0.002 Å
α	110.27 ± 0.007°
β	107.369 ± 0.007°
γ	100.928 ± 0.005°
Cell volume	1318.9 ± 0.3 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	0.0966
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
180449 (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 7/21/18.	7211831.cif
92416	2014-01-12	cif/ Adding structures of 7211831 via cif-deposit CGI script.	7211831.cif