Crystallography Open Database

Information card for entry 1575157

Preview

Coordinates	1575157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H16 N2 O
Calculated formula	C7 H16 N2 O
Title of publication	Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.
Authors of publication	Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	32
Pages of publication	14564 - 14577
a	9.9756 ± 0.0003 Å
b	11.6881 ± 0.0003 Å
c	15.1321 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1764.34 ± 0.08 Å³
Cell temperature	100 ± 0.3 K
Ambient diffraction temperature	100 ± 0.3 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1086
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
302493 (current)	2025-10-06	cif/ Updating files of 1575153, 1575154, 1575155, 1575156, 1575157, 1575158, 1575159 Original log message: Adding full bibliography for 1575153--1575159.cif.	1575157.cif
301312	2025-07-22	cif/ Adding structures of 1575153, 1575154, 1575155, 1575156, 1575157, 1575158, 1575159 via cif-deposit CGI script.	1575157.cif