Crystallography Open Database

Information card for entry 4104980

Preview

Coordinates	4104980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 Cd2 N5 O18
Calculated formula	C34 H24 Cd2 N6 O17
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	10.236 ± 0.002 Å
b	14.827 ± 0.003 Å
c	25.877 ± 0.005 Å
α	90°
β	95.45 ± 0.03°
γ	90°
Cell volume	3909.6 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	93.15 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	0.0849
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1766
Weighted residual factors for all reflections included in the refinement	0.1954
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4104980.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104980.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104980.cif
30157	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4104980 via cif-deposit CGI script.	4104980.cif