Crystallography Open Database

Information card for entry 1550225

Preview

Coordinates	1550225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H140 K4 N4 O14 Si4
Calculated formula	C80 H140 K4 N4 O14 Si4
SMILES	[Si]([O]1[Si](N([K]1)c1c(cccc1C(C)C)C(C)C)(C)C)(N([K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)c1c(cccc1C(C)C)C(C)C)(C)C
Title of publication	Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds
Authors of publication	Anker, Mathew; Lein, Matthias; Coles, Martyn P.
Journal of publication	Chemical Science
Year of publication	2019
a	11.7068 ± 0.0004 Å
b	13.9065 ± 0.0004 Å
c	14.2431 ± 0.0004 Å
α	93.271 ± 0.002°
β	99.115 ± 0.002°
γ	95.176 ± 0.002°
Cell volume	2274.16 ± 0.12 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
211906 (current)	2018-11-13	cif/ Adding structures of 1550224, 1550225, 1550226, 1550227, 1550228, 1550229, 1550230, 1550231, 1550232, 1550233, 1550234, 1550235 via cif-deposit CGI script.	1550225.cif