Crystallography Open Database

Information card for entry 4335927

Preview

Coordinates	4335927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H134 Cu18 N32 O38 P8
Calculated formula	C120 H134 Cu18 N32 O38 P8
Title of publication	An Unprecedented Octadecanuclear Copper(II) Pyrazolate-Phosphonate Nanocage: Synthetic, Structural, Magnetic, and Mechanistic Study
Authors of publication	Javeed Ahmad Sheikh; Himanshu Sekhar Jena; Amit Adhikary; Sajal Khatua; Sanjit Konar
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	9717 - 9719
a	15.165 ± 0.003 Å
b	16.196 ± 0.002 Å
c	18.978 ± 0.003 Å
α	75.566 ± 0.004°
β	68.987 ± 0.004°
γ	82.835 ± 0.004°
Cell volume	4210.7 ± 1.2 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0983
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.19
Weighted residual factors for all reflections included in the refinement	0.2504
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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
179462 (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 4/33/59.	4335927.cif
101881	2014-02-18	cif/ Adding structures of 4335927 via cif-deposit CGI script.	4335927.cif