Crystallography Open Database

Information card for entry 7128594

Preview

Coordinates	7128594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95 H113 N7 Pd7 Si5
Calculated formula	C98.5 H104 N7 Pd7 Si5
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	14.0947 ± 0.0002 Å
b	16.6487 ± 0.0003 Å
c	23.8355 ± 0.0003 Å
α	88.208 ± 0.0013°
β	81.288 ± 0.0013°
γ	81.87 ± 0.0013°
Cell volume	5472.83 ± 0.15 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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.	7128594.cif
267309	2021-07-07	cif/ Adding structures of 7128591, 7128592, 7128593, 7128594 via cif-deposit CGI script.	7128594.cif