Crystallography Open Database

Information card for entry 4332202

Preview

Coordinates	4332202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H48 Cl3.77 Cu4 I0.23 N4 O4
Calculated formula	C23 H48 Cl3.7691 Cu4 I0.2309 N4 O4
Title of publication	Synthesis of Isostructural Cage Complexes of Copper with Cobalt and Nickel for Deposition of Mixed Ceramic Oxide Materials
Authors of publication	Hamid, Mazhar; Tahir, Asif A.; Mazhar, Muhammad; Zeller, Matthias; Molloy, Kieran C.; Hunter, Allen D.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	26
Pages of publication	10457 - 10466
a	10.984 ± 0.0012 Å
b	27.25 ± 0.003 Å
c	11.1182 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3327.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0653
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179425 (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 4/33/22.	4332202.cif
98164	2014-01-29	cif/ Adding structures of 4332202 via cif-deposit CGI script.	4332202.cif