Crystallography Open Database

Information card for entry 4001707

Preview

Coordinates	4001707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H48 Cu12 I12 N12 O29 Zn8
Calculated formula	C72 H48 Cu12 I12 N12 O29 Zn8
Title of publication	Cluster-Organic Framework Materials as Heterogeneous Catalysts for High Efficient Addition Reaction of Diethylzinc to Aromatic Aldehydes
Authors of publication	Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	24
Pages of publication	4711
a	18.912 ± 0.0003 Å
b	18.912 ± 0.0003 Å
c	18.912 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6764.14 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	218
Hermann-Mauguin space group symbol	P -4 3 n
Hall space group symbol	P -4n 2 3
Residual factor for all reflections	0.1171
Residual factor for significantly intense reflections	0.0821
Weighted residual factors for significantly intense reflections	0.2199
Weighted residual factors for all reflections included in the refinement	0.245
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001707.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001707.cif
72003	2013-01-21	cif/ Adding structures of 4001707, 4001708, 4001709 via cif-deposit CGI script.	4001707.cif