Crystallography Open Database

Information card for entry 4328307

Preview

Coordinates	4328307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H54 N8 Ni3 O29 V6
Calculated formula	C48 H54 N8 Ni3 O29 V6
Title of publication	Flexible and Dynamic Thermal Behavior of Self-Catenated [{Ni3(H2O)3(Bpa)4}(V6O18)].8H2O Constructed from 10-c Heterometallic Inorganic-Organic Clusters
Authors of publication	Roberto Fernández de Luis; José L. Mesa; M. Karmele Urtiaga; Edurne S. Larrea; Teófilo Rojo; María I. Arriortua
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2130 - 2139
a	13.5536 ± 0.0002 Å
b	19.0463 ± 0.0002 Å
c	27.7435 ± 0.0003 Å
α	90°
β	112.388 ± 0.001°
γ	90°
Cell volume	6622.05 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1359
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179386 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/83.	4328307.cif
77272	2013-03-26	cif/ Adding structures of 4328307 via cif-deposit CGI script.	4328307.cif