Crystallography Open Database

Information card for entry 7126554

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Coordinates	7126554.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	20.709 ± 0.001 Å
b	10.9734 ± 0.0005 Å
c	25.4961 ± 0.0011 Å
α	90°
β	95.441 ± 0.001°
γ	90°
Cell volume	5767.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0496
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0762
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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