Crystallography Open Database

Information card for entry 4505626

Preview

Coordinates	4505626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H90 Mn5 N18 O21
Calculated formula	C114 H90 Mn5 N18 O21
Title of publication	Two Unprecedented Transition-Metal‒Organic Frameworks Showing One Dimensional-Hexagonal Channel Open Network and Two-Dimensional Sheet Structures
Authors of publication	Wang, Chengjie; Wang, Tao; Zhang, Wan; Lu, Huijie; Li, Gang
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1091
a	21.9033 ± 0.0016 Å
b	22.7086 ± 0.0016 Å
c	21.3286 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	10608.7 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1016
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1422
Weighted residual factors for all reflections included in the refinement	0.1718
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
179591 (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 4/50/56.	4505626.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505626.cif
51842	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505626 via cif-deposit CGI script.	4505626.cif