Crystallography Open Database

Information card for entry 4501312

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Coordinates	4501312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138 H92 Cd12 N115
Calculated formula	C138 H92 Cd12 N115
Title of publication	Porous Nitrogen Rich Cadmium-Tetrazolate Based Metal Organic Framework (MOF) for H2and CO2Uptake
Authors of publication	Pachfule, Pradip; Banerjee, Rahul
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5176
a	34.3111 ± 0.001 Å
b	40.5399 ± 0.0011 Å
c	20.3265 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	28273.5 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0687
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1478
Weighted residual factors for all reflections included in the refinement	0.1583
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179544 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/13.	4501312.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501312.cif
34851	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4501312 via cif-deposit CGI script.	4501312.cif