Crystallography Open Database

Information card for entry 4319815

4319814 << 4319815 >> 4319816

Preview

Coordinates	4319815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H51 Cl2 Cu N10 Ni2 O16.5
Calculated formula	C37 H46 Cl2 Cu N10 Ni2 O16.5
Title of publication	Oxamato-Bridged Trinuclear NiIICuIINiII Complexes with Irregular Spin State Structures and a Binuclear NiIICuII Complex with an Unusual Supramolecular Structure: Crystal Structure and Magnetic Properties
Authors of publication	En-Qing Gao; Jin-Kui Tang; Dai-Zheng Liao; Zong-Hui Jiang; Shi-Ping Yan; Geng-Lin Wang
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	3134 - 3140
a	11.7769 ± 0.0018 Å
b	13.955 ± 0.002 Å
c	18.041 ± 0.003 Å
α	101.071 ± 0.003°
β	103.473 ± 0.003°
γ	114.277 ± 0.003°
Cell volume	2486 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1414
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1489
Weighted residual factors for all reflections included in the refinement	0.1907
Goodness-of-fit parameter for all reflections included in the refinement	0.936
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4319815.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319815.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319815.cif
16620	2011-03-25	../uploads/cif-deposit/cod/cif Adding structures of 4319815 via cif-deposit CGI script.	4319815.cif