Crystallography Open Database

Information card for entry 7006167

Preview

Coordinates	7006167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.5 H36 B Cl F4 Mo N2 O2 P2
Calculated formula	C39.5 H36 B Cl F4 Mo N2 O2 P2
Title of publication	Transition metal vinylidene complexes as supramolecular building blocks: nucleobase-mediated self-assembly of crystals with hexagonal symmetry.
Authors of publication	Cowley, Michael J.; Lynam, Jason M.; Whitwood, Adrian C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	39
Pages of publication	4427 - 4438
a	13.3618 ± 0.0008 Å
b	11.6388 ± 0.0007 Å
c	23.6419 ± 0.0015 Å
α	90°
β	100.478 ± 0.001°
γ	90°
Cell volume	3615.4 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0711
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7006167.html