Crystallography Open Database

Information card for entry 7713701

Preview

Coordinates	7713701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H22 As F6 Fe Mo O5 P
Calculated formula	C23 H22 As F6 Fe Mo O5 P
SMILES	[Mo]1234([As]5(C(C)=C(C(=C5C)C)C)[Fe]5678(C#[O])([cH]9[cH]5[cH]7[cH]8[cH]69)C#[O])(C#[O])([cH]5[cH]4[cH]3[cH]1[cH]25)(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Free and Coordinated Biarsolyls
Authors of publication	Hill, Anthony; Kirk, Ryan M.
Journal of publication	Dalton Transactions
Year of publication	2023
a	13.6104 ± 0.0011 Å
b	14.7837 ± 0.0007 Å
c	13.7151 ± 0.0012 Å
α	90°
β	100.707 ± 0.008°
γ	90°
Cell volume	2711.6 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0996
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.1961
Weighted residual factors for all reflections included in the refinement	0.2143
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
285607 (current)	2023-08-10	cif/ Adding structures of 7713700, 7713701, 7713702, 7713703, 7713704, 7713705 via cif-deposit CGI script.	7713701.cif