Crystallography Open Database

Information card for entry 4316151

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Coordinates	4316151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H39 N7 O7 Re2
Calculated formula	C50 H39 N7 O7 Re2
Title of publication	Highly Emissive Cyclometalated Rhenium Metallacycles: Structure-Luminescence Relationship
Authors of publication	Yi-Hsiu Tseng; Dibyendu Bhattacharya; Shih-Ming Lin; P. Thanasekaran; Jing-Yun Wu; Li-Wei Lee; M. Sathiyendiran; Mei-Lin Ho; Min-Wen Chung; Kung-Chung Hsu; Pi-Tai Chou; Kuang-Lieh Lu
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	6805 - 6807
a	11.0604 ± 0.0003 Å
b	15.2102 ± 0.0004 Å
c	27.2689 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4587.5 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.119
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for significantly intense reflections	0.2289
Weighted residual factors for all reflections included in the refinement	0.257
Goodness-of-fit parameter for all reflections included in the refinement	1.177
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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