Crystallography Open Database

Information card for entry 1568250

Preview

Coordinates	1568250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132.65 H133.3 Ag2 B2 Cl1.3 N12 O6
Calculated formula	C132.65 H133.3 Ag2 B2 Cl1.3 N12 O6
Title of publication	Transient self-assembly of metal-organic complexes.
Authors of publication	Ayme, Jean-François; Bruchmann, Bernd; Karmazin, Lydia; Kyritsakas, Nathalie
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	5
Pages of publication	1244 - 1251
a	39.4123 ± 0.0018 Å
b	31.761 ± 0.0017 Å
c	41.134 ± 0.002 Å
α	90°
β	116.515 ± 0.002°
γ	90°
Cell volume	46075 ± 4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
283155 (current)	2023-05-05	cif/ Updating files of 1568250, 1568251 Original log message: Adding full bibliography for 1568250--1568251.cif.	1568250.cif
280254	2023-01-10	cif/ Adding structures of 1568250, 1568251 via cif-deposit CGI script.	1568250.cif