Crystallography Open Database

Information card for entry 7219036

7219035 << 7219036 >> 7219037

Preview

Coordinates	7219036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H22 N8 O7 Os
Calculated formula	C31 H22 N8 O7 Os
Title of publication	Chemically-driven “molecular logic circuit” based on osmium chromophore with resettable multiple readout
Authors of publication	Kumar, Anup; Chhatwal, Megha; Gupta, Rinkoo Devi; Awasthi, Satish Kumar
Journal of publication	RSC Adv.
Year of publication	2014
a	9.5534 ± 0.0002 Å
b	25.7853 ± 0.0005 Å
c	12.6272 ± 0.0003 Å
α	90°
β	93.47 ± 0.002°
γ	90°
Cell volume	3104.85 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0306
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0692
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180521 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/90.	7219036.cif
128493	2014-12-09	cif/ Adding structures of 7219036 via cif-deposit CGI script.	7219036.cif