Crystallography Open Database

Information card for entry 4105984

Preview

Coordinates	4105984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H48 Cu3 N6 Nd2 O33
Calculated formula	C24 H30 Cu3 N6 Nd2 O33
Title of publication	Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals
Authors of publication	Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	5736 - 5739
a	13.4567 ± 0.0016 Å
b	13.4567 ± 0.0016 Å
c	14.6982 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	2305 ± 0.5 Å³
Cell temperature	273.1 K
Ambient diffraction temperature	273 K
Ambient diffracton pressure	100 kPa
Number of distinct elements	6
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation wavelength	0.7107 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.	4105984.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105984.cif
52766	2012-04-13	../uploads/cif-deposit/cod/cif Adding structures of 4105984 via cif-deposit CGI script.	4105984.cif