Crystallography Open Database

Information card for entry 1569944

Preview

Coordinates	1569944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C517 H643 Au12 B12 Cl12 F48 N63 O28 Pd6
Calculated formula	C517 H486 Au12 B12 Cl12 F48 N63 O28 Pd6
Title of publication	Broadening the catalytic region from the cavity to windows by M<sub>6</sub>L<sub>12</sub> nanospheres in cyclizations.
Authors of publication	Xu, Meiling; Sun, Bin; Poole, 3rd, David A; Bobylev, Eduard O.; Jing, Xu; Wu, Jinguo; He, Cheng; Duan, Chunying; Reek, Joost N. H.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	42
Pages of publication	11699 - 11707
a	30.373 ± 0.003 Å
b	30.373 ± 0.003 Å
c	77.172 ± 0.013 Å
α	90°
β	90°
γ	120°
Cell volume	61655 ± 13 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	9
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1278
Residual factor for significantly intense reflections	0.0991
Weighted residual factors for significantly intense reflections	0.3268
Weighted residual factors for all reflections included in the refinement	0.362
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
287303 (current)	2023-11-06	cif/ Updating files of 1569942, 1569943, 1569944 Original log message: Adding full bibliography for 1569942--1569944.cif.	1569944.cif
286540	2023-09-27	cif/ Adding structures of 1569942, 1569943, 1569944 via cif-deposit CGI script.	1569944.cif