Crystallography Open Database

Information card for entry 7249664

Preview

Coordinates	7249664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H101 Cl6 N O28 Pb2 S8
Calculated formula	C83 H101 Cl6 N O28 Pb2 S8
Title of publication	An unsymmetrically sandwiched bis(O3S2-macrocycle) lead(ii) complex via an endo/exo-coordination mode
Authors of publication	Kim, Seulgi; Ju, Kyunghye; Kim, Taehun; Park, In-Hyeok
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	11
Pages of publication	1529 - 1533
a	15.4259 ± 0.0002 Å
b	21.5068 ± 0.0003 Å
c	15.6995 ± 0.0002 Å
α	90°
β	112.973 ± 0.001°
γ	90°
Cell volume	4795.4 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0553
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
298861 (current)	2025-04-05	cif/ Updating files of 7249664 Original log message: Adding full bibliography for 7249664.cif.	7249664.cif
296221	2024-12-05	cif/ Adding structures of 7249664 via cif-deposit CGI script.	7249664.cif