Crystallography Open Database

Information card for entry 1572011

1572010 << 1572011 >> 1572012

Preview

Coordinates	1572011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C150 H162 Cl48 N18 O57 Pd3 S15
Calculated formula	C150 H162 Cl48 N18 O57 Pd3 S15
Title of publication	A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage.
Authors of publication	Sharma, Shruti; Krishnaswamy, Shobhana; Prusty, Soumyakanta; Chand, Dillip Kumar
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	29
Pages of publication	11287 - 11301
a	22.6325 ± 0.0011 Å
b	22.6325 ± 0.0011 Å
c	30.888 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	13702 ± 1.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.1189
Residual factor for significantly intense reflections	0.0847
Weighted residual factors for significantly intense reflections	0.2277
Weighted residual factors for all reflections included in the refinement	0.2781
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
293729 (current)	2024-08-05	cif/ Updating files of 1572011, 1572012, 1572013 Original log message: Adding full bibliography for 1572011--1572013.cif.	1572011.cif
292646	2024-06-29	cif/ Adding structures of 1572011, 1572012, 1572013 via cif-deposit CGI script.	1572011.cif