Crystallography Open Database

Information card for entry 4336641

Preview

Coordinates	4336641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H56 Cd3 O22
Calculated formula	C66 H54 Cd3 O22
Title of publication	Structural Dynamism and Controlled Chemical Blocking/Unblocking of Active Coordination Space of a Soft Porous Crystal
Authors of publication	Abhijeet K. Chaudhari; Sanjog S. Nagarkar; Biplab Joarder; Soumya Mukherjee; Sujit K. Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12784 - 12789
a	15.87 ± 0.003 Å
b	20.433 ± 0.004 Å
c	19.22 ± 0.003 Å
α	90°
β	98.409 ± 0.003°
γ	90°
Cell volume	6165.5 ± 1.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1261
Residual factor for significantly intense reflections	0.1049
Weighted residual factors for significantly intense reflections	0.2528
Weighted residual factors for all reflections included in the refinement	0.2675
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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
179469 (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 4/33/66.	4336641.cif
102648	2014-02-21	cif/ Adding structures of 4336641 via cif-deposit CGI script.	4336641.cif