Crystallography Open Database

Information card for entry 7047584

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Coordinates	7047584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H68 O12 P2 Re2
Calculated formula	C48 H68 O12 P2 Re2
Title of publication	Phosphine oxide-based tricarbonylrhenium(i) complexes from phosphine/phosphine oxide and dihydroxybenzoquinones.
Authors of publication	Arumugam, Ramar; Shankar, Bhaskaran; Shanmugam, Ramasamy; Arumuganathan, T.; Sathiyendiran, Malaichamy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	39
Pages of publication	13894 - 13901
a	9.8509 ± 0.0006 Å
b	15.6904 ± 0.001 Å
c	16.8984 ± 0.0011 Å
α	90°
β	104.812 ± 0.002°
γ	90°
Cell volume	2525.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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