Crystallography Open Database

Information card for entry 4334974

Preview

Coordinates	4334974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C364 H330 Cl24 Mn12 N74 O96
Calculated formula	C364 H324 Cl24 Mn12 N74 O96
Title of publication	Dodecanuclear Hexagonal-Prismatic M12L18 Coordination Cages by Subcomponent Self-assembly
Authors of publication	Kiu-Chor Sham; Shek-Man Yiu; Hoi-Lun Kwong
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5648 - 5650
a	25.8858 ± 0.0005 Å
b	25.8858 ± 0.0005 Å
c	59.139 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	34318 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.1253
Residual factor for significantly intense reflections	0.1059
Weighted residual factors for significantly intense reflections	0.2702
Weighted residual factors for all reflections included in the refinement	0.293
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179452 (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 4/33/49.	4334974.cif
100860	2014-02-07	cif/ Adding structures of 4334974 via cif-deposit CGI script.	4334974.cif