Crystallography Open Database

Information card for entry 4336638

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Coordinates	4336638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H38 Cd3 O20
Calculated formula	C54 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	15.777 ± 0.002 Å
b	10.6187 ± 0.0015 Å
c	18.958 ± 0.003 Å
α	90°
β	97.359 ± 0.002°
γ	90°
Cell volume	3149.9 ± 0.8 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	0.1072
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1803
Goodness-of-fit parameter for all reflections included in the refinement	0.694
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.	4336638.cif
102645	2014-02-21	cif/ Adding structures of 4336638 via cif-deposit CGI script.	4336638.cif