Crystallography Open Database

Information card for entry 4504384

Preview

Coordinates	4504384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H87 Ag3 B F4 N3 O6 Se12
Calculated formula	C126 H87 Ag3 B F4 N3 O6 Se12
Title of publication	Assembly of Large Aromatic Selenoether Ligands into Cubic and Non-interpenetrated (10, 3)-aNets
Authors of publication	Huang, Guo; Xu, Hanhui; Zhou, Xiao-Ping; Xu, Zhengtao; Li, Kunhao; Zeller, Matthias; Hunter, Allen D.
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	12
Pages of publication	2542
a	24.1021 ± 0.0006 Å
b	24.1021 ± 0.0006 Å
c	24.1021 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	14001.2 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	8
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1539
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.215
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
179578 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/43.	4504384.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504384.cif
45096	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504383, 4504384 via cif-deposit CGI script.	4504384.cif