Crystallography Open Database

Information card for entry 4341551

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Coordinates	4341551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H106 N6 Ni3 O24
Calculated formula	C66 H106 N6 Ni3 O24
Title of publication	Redox-induced change in the ligand coordination mode.
Authors of publication	Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	19
Pages of publication	10033 - 10035
a	19.8588 ± 0.0003 Å
b	19.8588 ± 0.0003 Å
c	40.44 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	15948.4 ± 0.6 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.116
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
179518 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/15.	4341551.cif
126711	2014-11-10	cif/ Adding structures of 4341538, 4341539, 4341540, 4341541, 4341542, 4341543, 4341544, 4341545, 4341546, 4341547, 4341548, 4341549, 4341550, 4341551 via cif-deposit CGI script.	4341551.cif