Crystallography Open Database

Information card for entry 4334993

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Coordinates	4334993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H53 Cl4 N6 P2 Re
Calculated formula	C61 H53 Cl4 N6 P2 Re
SMILES	[Re](#N)([n]1cc(cc(c1)C)C)(C#N)(C#N)(C#N)C#N.ClCCl.ClCCl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands
Authors of publication	Hayato Ikeda; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara; Takashi Yoshimura
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6319 - 6327
a	28.4518 ± 0.0006 Å
b	12.2466 ± 0.0004 Å
c	20.5026 ± 0.0005 Å
α	90°
β	126.463 ± 0.0006°
γ	90°
Cell volume	5745.4 ± 0.3 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.1731
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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