Crystallography Open Database

Information card for entry 1505763

Preview

Coordinates	1505763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 Cu N4 O11 S2
Calculated formula	C27 H36 Cu N4 O11 S2
Title of publication	Coordination symmetry-dependent structure restoration function of one-dimensional MOFs by molecular respiration.
Authors of publication	Kondo, Atsushi; Noguchi, Hiroshi; Kajiro, Hiroshi; Carlucci, Lucia; Mercandelli, Pierluigi; Proserpio, Davide M.; Tanaka, Hideki; Kaneko, Katsumi; Kanoh, Hirofumi
Journal of publication	The journal of physical chemistry. B
Year of publication	2006
Journal volume	110
Journal issue	51
Pages of publication	25565 - 25567
a	7.89 ± 0.005 Å
b	15.945 ± 0.005 Å
c	13.063 ± 0.005 Å
α	90 ± 0.005°
β	94.588 ± 0.005°
γ	90 ± 0.005°
Cell volume	1638.1 ± 1.3 Å³
Cell temperature	140 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1841
Weighted residual factors for all reflections included in the refinement	0.1854
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505763.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505763.cif
47712	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505763 via cif-deposit CGI script.	1505763.cif