Crystallography Open Database

Information card for entry 4339565

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Coordinates	4339565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H54 N11 O14 Zn3
Calculated formula	C66 H54 N11 O14 Zn3
Title of publication	A triply interpenetrated microporous metal-organic framework for selective sorption of gas molecules.
Authors of publication	Chen, Banglin; Ma, Shengqian; Hurtado, Eric J.; Lobkovsky, Emil B.; Zhou, Hong-Cai
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	21
Pages of publication	8490 - 8492
a	20.1473 ± 0.0013 Å
b	27.5052 ± 0.0018 Å
c	32.588 ± 0.002 Å
α	90°
β	97.021 ± 0.003°
γ	90°
Cell volume	17923 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1023
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.16
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
179498 (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 4/33/95.	4339565.cif
117394	2014-06-14	cif/ Adding structures of 4339565 via cif-deposit CGI script.	4339565.cif