Crystallography Open Database

Information card for entry 4310608

Preview

Coordinates	4310608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22.5 Cu F12 N8 O5.25 P2
Calculated formula	C24 H16 Cu F12 N8 O5.25 P2
Title of publication	Preparation of Acentric Porous Coordination Frameworks from an Interpenetrated Diamondoid Array through Anion-Exchange Procedures: Crystal Structures and Properties
Authors of publication	Miao Du; Ya-Mei Guo; Shen-Tan Chen; Xian-He Bu; Stuart R. Batten; Joan Ribas; Susumu Kitagawa
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	1287 - 1293
a	13.4623 ± 0.0016 Å
b	13.4623 ± 0.0016 Å
c	46.472 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	8422 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1498
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.1698
Weighted residual factors for all reflections included in the refinement	0.2091
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4310608.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310608.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310608.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4310608.cif
2096	2010-11-08	../uploads/cif-deposit/cod/cif Adding structures of 4310608 via cif-deposit CGI script.	4310608.cif