Crystallography Open Database

Information card for entry 7219314

7219313 << 7219314 >> 7219315

Preview

Coordinates	7219314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H57 Cu N5 O11
Calculated formula	C34 H46 Cu N4 O8
SMILES	[NH]12CC[N]3([Cu]41[N](Cc1cc(cc(c1)C(=O)[O-])C(=O)O)([C@H](CC2(C)C)C)CC[NH]4C(C)(C)C[C@H]3C)Cc1cc(cc(c1)C(=O)[O-])C(=O)O
Title of publication	Syntheses, structures, gas adsorption and reversible iodine adsorption of two porous Cu(ii) MOFs
Authors of publication	Zhang, Hong-Mei; Wu, Hua; Liu, Ying-Ying; Yang, Jin; Kang, Da-Wei; Ma, Jian-Fang
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	7
Pages of publication	1583
a	18.999 ± 0.0008 Å
b	18.999 ± 0.0008 Å
c	37.095 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	11596 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.076
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1557
Weighted residual factors for all reflections included in the refinement	0.165
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180524 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93.	7219314.cif
133159	2015-03-06	cif/ Updating files of 7219314, 7219315 Original log message: Adding full bibliography for 7219314--7219315.cif.	7219314.cif
129680	2015-01-16	cif/ Adding structures of 7219314, 7219315 via cif-deposit CGI script.	7219314.cif