Crystallography Open Database

Information card for entry 4104981

Preview

Coordinates	4104981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 Cd2 N6 O12
Calculated formula	C32 H24 Cd2 N6 O12
Title of publication	A Pillared-Layer Coordination Polymer with a Rotatable Pillar Acting as a Molecular Gate for Guest Molecules
Authors of publication	Joobeom Seo; Ryotaro Matsuda; Hirotoshi Sakamoto; Charlotte Bonneau; Susumu Kitagawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	12792 - 12800
a	10.701 ± 0.008 Å
b	14.17 ± 0.011 Å
c	22.205 ± 0.017 Å
α	90°
β	98.117 ± 0.013°
γ	90°
Cell volume	3333 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	378.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1288
Residual factor for significantly intense reflections	0.1006
Weighted residual factors for significantly intense reflections	0.2613
Weighted residual factors for all reflections included in the refinement	0.2911
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178795 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/49.	4104981.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104981.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104981.cif
30158	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4104981 via cif-deposit CGI script.	4104981.cif