Crystallography Open Database

Information card for entry 4341935

4341934 << 4341935 >> 4341936

Preview

Coordinates	4341935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H54 Cl2 Cu3 N6 Ni O14
Calculated formula	C54 H54 Cl2 Cu3 N6 Ni O14
Title of publication	A Series of M(II)Cu(II)3 Stars (M = Mn, Ni, Cu, Zn) Exhibiting Unusual Magnetic Properties.
Authors of publication	Mondal, Suraj; Mandal, Shuvankar; Carrella, Luca; Jana, Arpita; Fleck, Michel; Köhn, Andreas; Rentschler, Eva; Mohanta, Sasankasekhar
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	1
Pages of publication	117 - 131
a	14.547 ± 0.007 Å
b	14.547 ± 0.007 Å
c	15.129 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	2773 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179522 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/19.	4341935.cif
130624	2015-02-04	cif/ Updating files of 4341934, 4341935, 4341936, 4341937 Original log message: Adding full bibliography for 4341934--4341937.cif.	4341935.cif
128635	2014-12-13	cif/ Adding structures of 4341934, 4341935, 4341936, 4341937 via cif-deposit CGI script.	4341935.cif