Crystallography Open Database

Information card for entry 4509612

Preview

Coordinates	4509612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 N8 Ni O4
Calculated formula	C15 H18 N8 Ni O4
Title of publication	Coordination Polymers Assembled from 3,5-Pyrazoledicarboxylic Acid and Bis(triazolyl) Ligands: Chiral andMeso-Structures Induced by Ligand Flexibility and a Six-Connected Self-Catenated Network
Authors of publication	Zhou, Xin-Hui; Du, Xiao-Di; Li, Gao-Nan; Zuo, Jing-Lin; You, Xiao-Zeng
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	10
Pages of publication	4487
a	8.2778 ± 0.0012 Å
b	8.9873 ± 0.0013 Å
c	12.5406 ± 0.0018 Å
α	101.62 ± 0.002°
β	102.546 ± 0.003°
γ	91.579 ± 0.003°
Cell volume	889.5 ± 0.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0561
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179632 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/96.	4509612.cif
97398	2014-01-29	cif/ Adding structures of 4509609, 4509610, 4509611, 4509612, 4509613, 4509614, 4509615 via cif-deposit CGI script.	4509612.cif