Crystallography Open Database

Information card for entry 7126556

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Coordinates	7126556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H74 Br N2 O3 Re
Calculated formula	C65 H74 Br N2 O3 Re
Title of publication	A closed-shell monomeric rhenium(1-) anion provided by m-terphenyl isocyanide ligation.
Authors of publication	Salsi, Federico; Neville, Michael; Drance, Myles; Hagenbach, Adelheid; Chan, Chinglin; Figueroa, Joshua S.; Abram, Ulrich
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	51
Pages of publication	7009 - 7012
a	24.0967 ± 0.0019 Å
b	24.0107 ± 0.0019 Å
c	21.223 ± 0.003 Å
α	90°
β	108.41 ± 0.005°
γ	90°
Cell volume	11651 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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