Crystallography Open Database

Information card for entry 7127122

Preview

Coordinates	7127122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26 B10
Calculated formula	C23 H26 B10
SMILES	[BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%159[BH]968[BH]625[BH]251[BH]%11%14([BH]%15962)[C]4%135([C]37%10%12c1ccccc1)Cc1c2ccccc2cc2ccccc12
Title of publication	Synthetic access to a phosphorescent non-palindromic pincer complex of palladium by a double oxidative addition - comproportionation sequence.
Authors of publication	Feuerstein, Wolfram; Breher, Frank
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	83
Pages of publication	12589 - 12592
a	12.0902 ± 0.0002 Å
b	10.2573 ± 0.0002 Å
c	17.8407 ± 0.0003 Å
α	90°
β	91.309 ± 0.001°
γ	90°
Cell volume	2211.9 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.0471
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260614 (current)	2021-01-07	cif/ Updating files of 7127122, 7127123 Original log message: Adding full bibliography for 7127122--7127123.cif.	7127122.cif
255675	2020-08-27	cif/ Adding structures of 7127122, 7127123 via cif-deposit CGI script.	7127122.cif