Crystallography Open Database

Information card for entry 7208772

7208771 << 7208772 >> 7208773

Preview

Coordinates	7208772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 Cd3 Cl3 N5 O21.5
Calculated formula	C42 H33 Cd3 Cl3 N5 O15
Title of publication	A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties
Authors of publication	Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	24
Pages of publication	8368
a	34.628 ± 0.002 Å
b	18.2216 ± 0.0006 Å
c	23.1357 ± 0.0018 Å
α	90°
β	118.404 ± 0.009°
γ	90°
Cell volume	12840.7 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1183
Residual factor for significantly intense reflections	0.092
Weighted residual factors for significantly intense reflections	0.2796
Weighted residual factors for all reflections included in the refinement	0.3136
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7208772.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208772.cif
71475	2013-01-20	cif/ Adding structures of 7208772, 7208773, 7208774, 7208775, 7208776 via cif-deposit CGI script.	7208772.cif