Crystallography Open Database

Information card for entry 1505764

Preview

Coordinates	1505764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H72 Cu2 N8 O22 S4
Calculated formula	C52 H72 Cu2 N8 O22 S4
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	24.3572 ± 0.0008 Å
b	7.9688 ± 0.0002 Å
c	17.4501 ± 0.0006 Å
α	90°
β	105.172 ± 0.001°
γ	90°
Cell volume	3268.97 ± 0.18 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	0.909
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
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.	1505764.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505764.cif
47713	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505764 via cif-deposit CGI script.	1505764.cif