Crystallography Open Database

Information card for entry 4337118

Preview

Coordinates	4337118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C215 H327 Cl12 Cu6 Fe8 N89 O83
Calculated formula	C180 H244 Cl8 Cu6 Fe8 N84 O52
Title of publication	Self-Assembly of an Imidazolate-Bridged Fe(III)/Cu(II) Heterometallic Cage.
Authors of publication	Reichel, Florian; Clegg, Jack K.; Gloe, Karsten; Gloe, Kerstin; Weigand, Jan J.; Reynolds, Jason K.; Li, Chun-Guang; Aldrich-Wright, Janice R; Kepert, Cameron J.; Lindoy, Leonard F.; Yao, Hong-Chang; Li, Feng
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	688 - 690
a	21.3989 ± 0.0006 Å
b	21.3989 ± 0.0006 Å
c	30.3895 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	13915.7 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	85
Hermann-Mauguin space group symbol	P 4/n
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1676
Residual factor for significantly intense reflections	0.1195
Weighted residual factors for significantly intense reflections	0.3461
Weighted residual factors for all reflections included in the refinement	0.4116
Goodness-of-fit parameter for all reflections included in the refinement	1.367
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
179474 (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 4/33/71.	4337118.cif
106171	2014-03-15	cif/ Adding structures of 4337118 via cif-deposit CGI script.	4337118.cif