Crystallography Open Database

Information card for entry 4329545

Preview

Coordinates	4329545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H130 Cu6 N16 Ni4 O49
Calculated formula	C98 H76 Cu6 N16 Ni4 O49
Title of publication	A Heterometallic (NiII-CuII) Decanuclear Cluster Containing Two Distorted Cubane-like Pentanuclear Cores: Synthesis, Structure, and Magnetic Properties
Authors of publication	Anindita Chakraborty; Barindra Kumar Ghosh; Jordi Ribas-Arino; Joan Ribas; Tapas Kumar Maji
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6440 - 6442
a	11.8151 ± 0.0006 Å
b	23.7558 ± 0.0016 Å
c	22.532 ± 0.0014 Å
α	90°
β	98.698 ± 0.004°
γ	90°
Cell volume	6251.5 ± 0.7 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	0.2115
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1751
Weighted residual factors for all reflections included in the refinement	0.2471
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
179398 (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 4/32/95.	4329545.cif
78602	2013-04-02	cif/ Adding structures of 4329545 via cif-deposit CGI script.	4329545.cif