Crystallography Open Database

Information card for entry 4337324

Preview

Coordinates	4337324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C115 H172 Co12 N4 O60 P4
Calculated formula	C115 H172 Co12 N4 O60 P4
Title of publication	High Nuclearity (Octa-, Dodeca-, and Pentadecanuclear) Metal (M = Co(II), Ni(II)) Phosphonate Cages: Synthesis, Structure, and Magnetic Behavior.
Authors of publication	Sheikh, Javeed Ahmad; Adhikary, Amit; Jena, Himanshu Sekhar; Biswas, Soumava; Konar, Sanjit
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	3
Pages of publication	1606 - 1613
a	17.3222 ± 0.0009 Å
b	30.933 ± 0.002 Å
c	30.4764 ± 0.0017 Å
α	90°
β	96.517 ± 0.003°
γ	90°
Cell volume	16224.6 ± 1.6 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1234
Residual factor for significantly intense reflections	0.1096
Weighted residual factors for significantly intense reflections	0.2791
Weighted residual factors for all reflections included in the refinement	0.2878
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
179476 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/73.	4337324.cif
106273	2014-03-15	cif/ Adding structures of 4337324 via cif-deposit CGI script.	4337324.cif