Crystallography Open Database

Information card for entry 4500787

Preview

Coordinates	4500787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H154 Br5 Cu17 N60 O5
Calculated formula	C168 H144 Br5 Cu17 N60 O5
Title of publication	Microporous Metal‒Organic Frameworks: Structures, in Situ Formation of Ligand, and Crystal-to-Crystal Transformations
Authors of publication	Fang, Zhen-Lan; Yu, Rong-Min; Wu, Xiao-Yuan; Huang, Jing-Shun; Lu, Can-Zhong
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	6
Pages of publication	2546
a	20.014 ± 0.005 Å
b	37.956 ± 0.008 Å
c	25.085 ± 0.008 Å
α	90°
β	109.384 ± 0.003°
γ	90°
Cell volume	17976 ± 8 Å³
Cell temperature	88 ± 2 K
Ambient diffraction temperature	88 ± 2 K
Number of distinct elements	6
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	0.0497
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1525
Weighted residual factors for all reflections included in the refinement	0.1571
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
179538 (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 4/50/07.	4500787.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500787.cif
34634	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500783, 4500784, 4500785, 4500786, 4500787, 4500788 via cif-deposit CGI script.	4500787.cif