Crystallography Open Database

Information card for entry 7710820

Preview

Coordinates	7710820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Au B Br Cl N6 O2 W
Calculated formula	C18 H22 Au B Br Cl N6 O2 W
SMILES	[Au]1([W]23([n]4n(c(cc4C)C)[BH](n4[n]2c(cc4C)C)n2[n]3c(C)cc2C)(C#[O])(#[C]1Br)C#[O])Cl
Title of publication	Heterobimetallic μ2-halocarbyne complexes
Authors of publication	Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.
Journal of publication	Dalton Transactions
Year of publication	2022
a	25.3829 ± 0.0004 Å
b	10.9902 ± 0.0001 Å
c	19.8684 ± 0.0003 Å
α	90°
β	107.856 ± 0.002°
γ	90°
Cell volume	5275.57 ± 0.14 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	9
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	0.0565
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.1366
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
276970 (current)	2022-07-28	cif/ Adding structures of 7710817, 7710818, 7710819, 7710820, 7710821, 7710822, 7710823, 7710824, 7710825, 7710826, 7710827, 7710828, 7710829, 7710830, 7710831 via cif-deposit CGI script.	7710820.cif