Crystallography Open Database

Information card for entry 7042388

Preview

Coordinates	7042388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 F18 Mo N2 O3
Calculated formula	C36 H44 F18 Mo N2 O3
Title of publication	Formation of paramagnetic metallacyclobutadienes by reaction of diaminoacetylenes with molybdenum alkylidyne complexes.
Authors of publication	Àrias, Òscar; Brandhorst, Kai; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	14
Pages of publication	4737 - 4748
a	11.23 ± 0.0006 Å
b	12.6831 ± 0.0006 Å
c	15.8296 ± 0.001 Å
α	101.495 ± 0.005°
β	110.382 ± 0.006°
γ	95.857 ± 0.004°
Cell volume	2034.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0523
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
196449 (current)	2017-05-06	cif/ Updating files of 7042387, 7042388 Original log message: Adding full bibliography for 7042387--7042388.cif.	7042388.cif
194120	2017-03-09	cif/ Adding structures of 7042387, 7042388 via cif-deposit CGI script.	7042388.cif