Crystallography Open Database

Information card for entry 7059772

Preview

Coordinates	7059772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H7 Au Br4 N2
Calculated formula	C5 H7 Au Br4 N2
SMILES	c1n(cc[nH+]1)C=C.[Br-][Au](Br)(Br)Br
Title of publication	Vinylimidazole coordination modes to Pt and Au metal centers
Authors of publication	Jääskeläinen, Sirpa; Koshevoy, Igor O.; Suvanto, Sari; Ryhänen, Tiina; Hirva, Pipsa
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	29
Pages of publication	12762 - 12770
a	7.8576 ± 0.0003 Å
b	8.7084 ± 0.0003 Å
c	9.563 ± 0.0003 Å
α	110.766 ± 0.001°
β	92.548 ± 0.001°
γ	102.567 ± 0.001°
Cell volume	591.87 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0195
Residual factor for significantly intense reflections	0.0158
Weighted residual factors for significantly intense reflections	0.0354
Weighted residual factors for all reflections included in the refinement	0.0365
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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