Crystallography Open Database

Information card for entry 4330982

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Coordinates	4330982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H50 N5 O3 P2 Re
Calculated formula	C58 H50 N5 O3 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	20.2827 ± 0.0006 Å
b	13.2697 ± 0.0004 Å
c	21.7579 ± 0.0007 Å
α	90°
β	115.257 ± 0.0007°
γ	90°
Cell volume	5296.2 ± 0.3 Å³
Cell temperature	170.2 K
Ambient diffraction temperature	170.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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