Crystallography Open Database

Information card for entry 4101632

Preview

Coordinates	4101632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H135 Mn0.5 Mo9 N5.5 O30
Calculated formula	C62 H135 Mn0.5 Mo9 N5.5 O30
Title of publication	Nanoscale chiral rod-like molecular triads assembled from achiral polyoxometalates.
Authors of publication	Zhang, Jin; Hao, Jian; Wei, Yongge; Xiao, Fengping; Yin, Panchao; Wang, Longsheng
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Journal issue	1
Pages of publication	14 - 15
a	18.174 ± 0.003 Å
b	18.174 ± 0.003 Å
c	49.125 ± 0.01 Å
α	90°
β	90°
γ	120°
Cell volume	14052 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1434
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4101632.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101632.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101632.cif
21838	2011-06-29	../uploads/cif-deposit/cod/cif Adding structures of 4101632 via cif-deposit CGI script.	4101632.cif