Crystallography Open Database

Information card for entry 2238892

Preview

Coordinates	2238892.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(2,9-dimethyl-1,10-phenanthroline)copper(I) pentacyanidonitrosoferrate(II)
Formula	C61 H48 Cu2 Fe N14 O
Calculated formula	C61 H48 Cu2 Fe N14 O
Title of publication	Bis(2,9-dimethyl-1,10-phenanthroline)copper(I) pentacyanidonitrosoferrate(II)
Authors of publication	Rusanova, Julia A.; Kozachuk, Olesia V.; Semenaka, Valentyna V.; Dyakonenko, Viktoriya V.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	m684 - m685
a	7.371 ± 0.003 Å
b	13.741 ± 0.003 Å
c	15.065 ± 0.004 Å
α	115.269 ± 0.004°
β	95.327 ± 0.003°
γ	101.323 ± 0.004°
Cell volume	1325.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238892.cif
92262	2014-01-12	cif/ Adding structures of 2238892 via cif-deposit CGI script.	2238892.cif