Crystallography Open Database

Information card for entry 4336642

Preview

Coordinates	4336642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H36 Cd3 O20
Calculated formula	C62 H30 Cd3 O20
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	16.394 ± 0.005 Å
b	8.887 ± 0.003 Å
c	19.103 ± 0.006 Å
α	90°
β	98.259 ± 0.007°
γ	90°
Cell volume	2754.3 ± 1.5 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	0.1235
Residual factor for significantly intense reflections	0.0855
Weighted residual factors for significantly intense reflections	0.2576
Weighted residual factors for all reflections included in the refinement	0.3059
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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.	4336642.cif
102649	2014-02-21	cif/ Adding structures of 4336642 via cif-deposit CGI script.	4336642.cif