Crystallography Open Database

Information card for entry 7700495

Preview

Coordinates	7700495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 Mo N O2
Calculated formula	C23 H17 Mo N O2
Title of publication	Propene complexes of molybdenum and tungsten stabilized by intramolecular coordination of the 1-(quinol-8-yl)indenyl ligand.
Authors of publication	Mrózek, Ondřej; Dostál, Libor; Císařová, Ivana; Honzíček, Jan; Vinklárek, Jaromír
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	32
Pages of publication	12210 - 12218
a	9.9777 ± 0.0005 Å
b	7.6944 ± 0.0004 Å
c	12.0138 ± 0.0006 Å
α	90°
β	92.813 ± 0.002°
γ	90°
Cell volume	921.22 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0181
Residual factor for significantly intense reflections	0.0172
Weighted residual factors for significantly intense reflections	0.0445
Weighted residual factors for all reflections included in the refinement	0.0451
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
223912 (current)	2019-11-07	cif/ Updating files of 7700495, 7700496, 7700497, 7700498, 7700499 Original log message: Adding full bibliography for 7700495--7700499.cif.	7700495.cif
216944	2019-07-11	cif/ Adding structures of 7700495, 7700496, 7700497, 7700498, 7700499 via cif-deposit CGI script.	7700495.cif