Crystallography Open Database

Information card for entry 7026955

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Coordinates	7026955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H30 Cd1.5 N3 O15 S3
Calculated formula	C21 H36 Cd1.5 N3 O15 S3
Title of publication	Two cationic metal-organic frameworks based on cadmium and α,ω-alkanedisulfonate anions and their photoluminescent properties.
Authors of publication	Fei, Honghan; Oliver, Scott R. J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	46
Pages of publication	11193 - 11200
a	11.8001 ± 0.0008 Å
b	11.8001 ± 0.0008 Å
c	12.7024 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1531.75 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.018
Residual factor for significantly intense reflections	0.0179
Weighted residual factors for significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.0472
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
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.	7026955.cif
93653	2014-01-13	cif/ Adding structures of 7026953, 7026954, 7026955 via cif-deposit CGI script.	7026955.cif