Crystallography Open Database

Information card for entry 4336640

Preview

Coordinates	4336640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H70 Cd3 O24
Calculated formula	C70 H62 Cd3 O24
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	15.4481 ± 0.001 Å
b	11.4391 ± 0.0007 Å
c	19.1156 ± 0.0013 Å
α	90°
β	94.625 ± 0.001°
γ	90°
Cell volume	3367 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
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.	4336640.cif
102647	2014-02-21	cif/ Adding structures of 4336640 via cif-deposit CGI script.	4336640.cif