Crystallography Open Database

Information card for entry 7219391

7219390 << 7219391 >> 7219392

Preview

Coordinates	7219391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H60 Cl N12 Ni2 O24 Ta
Calculated formula	C66 H60 Cl N12 Ni2 O24 Ta
Title of publication	Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds
Authors of publication	Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	9
Pages of publication	2021
a	23.89 ± 0.0003 Å
b	13.3719 ± 0.0001 Å
c	23.1855 ± 0.0003 Å
α	90°
β	101.232 ± 0.001°
γ	90°
Cell volume	7264.85 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0517
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180524 (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 7/21/93.	7219391.cif
133241	2015-03-06	cif/ Updating files of 7219391, 7219392, 7219393 Original log message: Adding full bibliography for 7219391--7219393.cif.	7219391.cif
130118	2015-01-27	cif/ Adding structures of 7219391, 7219392, 7219393 via cif-deposit CGI script.	7219391.cif