Crystallography Open Database

Information card for entry 7128591

Preview

Coordinates	7128591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H112 N8 Pd7 Si4
Calculated formula	C88 H81 N8 Pd7 Si4
Title of publication	Nuclearity expansion in Pd clusters triggered by the migration of a phenyl group in cyclooligosilanes.
Authors of publication	Shimamoto, Kento; Sunada, Yusuke
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	62
Pages of publication	7649 - 7652
a	23.5338 ± 0.0009 Å
b	17.3277 ± 0.0006 Å
c	26.3271 ± 0.0009 Å
α	90°
β	111.647 ± 0.004°
γ	90°
Cell volume	9978.7 ± 0.7 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	5
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	0.1753
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	0.951
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268500 (current)	2021-09-06	cif/ Updating files of 7128591, 7128592, 7128593, 7128594 Original log message: Adding full bibliography for 7128591--7128594.cif.	7128591.cif
267309	2021-07-07	cif/ Adding structures of 7128591, 7128592, 7128593, 7128594 via cif-deposit CGI script.	7128591.cif