Crystallography Open Database

Information card for entry 4082666

Preview

Coordinates	4082666.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	13249e
Formula	C60 H69 B Mo N2 O4 P2
Calculated formula	C56 H61 B Mo N2 O3 P2
Title of publication	Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses
Authors of publication	Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	5
Pages of publication	1300
a	10.609 ± 0.0008 Å
b	21.9068 ± 0.0017 Å
c	23.829 ± 0.002 Å
α	98.98 ± 0.005°
β	100.774 ± 0.005°
γ	91.935 ± 0.005°
Cell volume	5362.5 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178715 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/26.	4082666.cif
106761	2014-03-16	cif/ Adding structures of 4082658, 4082659, 4082660, 4082661, 4082662, 4082663, 4082664, 4082665, 4082666, 4082667, 4082668, 4082669, 4082670, 4082671 via cif-deposit CGI script.	4082666.cif