Crystallography Open Database

Information card for entry 7120662

7120661 << 7120662 >> 7120663

Preview

Coordinates	7120662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H106 As Na O12 W
Calculated formula	C64 H106 As Na O12 W
SMILES	O([W](Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)#[As])c1c(cccc1C(C)C)C(C)C.C[O]1CC[O](C)[Na]231([O](C)CC[O]2C)[O](C)CC[O]3C.C1COCCO1
Title of publication	Terminal tungsten pnictide complex formation through pnictaethynolate decarbonylation
Authors of publication	Cummins, Christopher; Transue, Wesley J.; Joost, Maximilian
Journal of publication	Chem. Commun.
Year of publication	2017
a	57.2329 ± 0.0015 Å
b	18.4351 ± 0.0006 Å
c	38.9112 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	41055 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287753 (current)	2023-11-23	Fixing Z values and formulae	7120662.cif
200910	2017-09-15	cif/ Adding structures of 7120662, 7120663, 7120664 via cif-deposit CGI script.	7120662.cif