Crystallography Open Database

Information card for entry 7217051

Preview

Coordinates	7217051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C312 H176 N8 O148 Zn28
Calculated formula	C312 H120 O124 Zn28
Title of publication	Isoreticular MOFs based on a rhombic dodecahedral MOP as a tertiary building unit
Authors of publication	Kim, Dongwook; Liu, Xinfang; Oh, Minhak; Song, Xiaokai; Zou, Yang; Singh, Devendra; Kim, Kwang S.; Lah, Myoung Soo
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	28
Pages of publication	6391
a	32.366 ± 0.005 Å
b	32.366 ± 0.005 Å
c	32.366 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	33905 ± 9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.3461
Residual factor for significantly intense reflections	0.2841
Weighted residual factors for significantly intense reflections	0.5272
Weighted residual factors for all reflections included in the refinement	0.556
Goodness-of-fit parameter for all reflections included in the refinement	1.693
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
180501 (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 7/21/70.	7217051.cif
119368	2014-07-06	cif/ Adding structures of 7217051, 7217052 via cif-deposit CGI script.	7217051.cif