Crystallography Open Database

Information card for entry 7126395

Preview

Coordinates	7126395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H82 B Br Mo N6 O5 P2 Pt
Calculated formula	C66 H82 B Br Mo N6 O5 P2 Pt
Title of publication	The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.
Authors of publication	Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	42
Pages of publication	5673 - 5676
a	22.4595 ± 0.0004 Å
b	12.1952 ± 0.0002 Å
c	24.7641 ± 0.0004 Å
α	90°
β	102.513 ± 0.001°
γ	90°
Cell volume	6621.73 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
252701 (current)	2020-06-05	cif/ Updating files of 7126395, 7126396, 7126397, 7126398, 7126399, 7126400, 7126401, 7126402 Original log message: Adding full bibliography for 7126395--7126402.cif.	7126395.cif
250904	2020-04-18	cif/ Adding structures of 7126395, 7126396, 7126397, 7126398, 7126399, 7126400, 7126401, 7126402 via cif-deposit CGI script.	7126395.cif