Crystallography Open Database

Information card for entry 4334268

Preview

Coordinates	4334268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H97 Cd3 Fe2 N13 O28
Calculated formula	C96 H48 Cd3 Fe2 N8 O23
Title of publication	Four Metalloporphyrinic Frameworks as Heterogeneous Catalysts for Selective Oxidation and Aldol Reaction
Authors of publication	Chao Zou; Tianfu Zhang; Ming-Hua Xie; Lijun Yan; Guo-Qiang Kong; Xiu-Li Yang; An Ma; Chuan-De Wu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3620 - 3626
a	41.4454 ± 0.0012 Å
b	41.4454 ± 0.0012 Å
c	32.834 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	56400 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.2424
Residual factor for significantly intense reflections	0.1418
Weighted residual factors for significantly intense reflections	0.2426
Weighted residual factors for all reflections included in the refinement	0.2653
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179445 (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 4/33/42.	4334268.cif
100085	2014-02-04	cif/ Adding structures of 4334268 via cif-deposit CGI script.	4334268.cif