Crystallography Open Database

Information card for entry 4330980

Preview

Coordinates	4330980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H43 N5 O4 P2 Re
Calculated formula	C56 H43 N5 O4 P2 Re
Title of publication	Photoluminescence Switching with Changes in the Coordination Number and Coordinating Volatile Organic Compounds in Tetracyanidonitridorhenium(V) and -technetium(V) Complexes
Authors of publication	Hayato Ikeda; Takashi Yoshimura; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12065 - 12074
a	13.8212 ± 0.0006 Å
b	16.4961 ± 0.0008 Å
c	13.4479 ± 0.0006 Å
α	89.701 ± 0.001°
β	62.242 ± 0.0009°
γ	72.218 ± 0.001°
Cell volume	2549.2 ± 0.2 Å³
Cell temperature	170.2 K
Ambient diffraction temperature	170.2 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 significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.1417
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4330980.cif
80440	2013-04-07	cif/ Adding structures of 4330980 via cif-deposit CGI script.	4330980.cif