Crystallography Open Database

Information card for entry 1572013

1572012 << 1572013 >> 1572014

Preview

Coordinates	1572013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H128 N24 O62 Pd4 S6
Calculated formula	C148 H128 N24 O62 Pd4 S6
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	18.26 ± 0.02 Å
b	21.68 ± 0.02 Å
c	30.26 ± 0.04 Å
α	106.49 ± 0.06°
β	91.26 ± 0.07°
γ	105.9 ± 0.04°
Cell volume	10982 ± 2 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.177
Residual factor for significantly intense reflections	0.1007
Weighted residual factors for significantly intense reflections	0.2463
Weighted residual factors for all reflections included in the refinement	0.2999
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
293729 (current)	2024-08-05	cif/ Updating files of 1572011, 1572012, 1572013 Original log message: Adding full bibliography for 1572011--1572013.cif.	1572013.cif
292646	2024-06-29	cif/ Adding structures of 1572011, 1572012, 1572013 via cif-deposit CGI script.	1572013.cif