Crystallography Open Database

Information card for entry 7018262

Preview

Coordinates	7018262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 N3 Ni1.5 O10
Calculated formula	C4 H12 N3 Ni1.5 O10
Title of publication	Spontaneous asymmetric crystallization of a quartz-type framework from achiral precursors.
Authors of publication	Zheng, Wenxu; Wei, Yongqin; Xiao, Xueying; Wu, Kechen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	11
Pages of publication	3138 - 3140
a	11.9245 ± 0.0001 Å
b	11.9245 ± 0.0001 Å
c	16.302 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	2007.48 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1249
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7018262.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018262.cif
37701	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018262 via cif-deposit CGI script.	7018262.cif