Crystallography Open Database

Information card for entry 1519678

1519677 << 1519678 >> 1519679

Preview

Coordinates	1519678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H24 Cd Cl2 N36 O8
Calculated formula	C6 H24 Cd Cl2 N36 O8
Title of publication	Controllable explosion: fine-tuning the sensitivity of high-energy complexes.
Authors of publication	Wang, Kun; Zeng, Dihao; Zhang, Jian-Guo; Cui, Yan; Zhang, Tong-Lai; Li, Zhi-Min; Jin, Xin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	28
Pages of publication	12497 - 12501
a	11.9445 ± 0.0007 Å
b	11.9445 ± 0.0007 Å
c	13.2162 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	1633 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519678.cif
143697	2015-07-11	cif/ Updating files of 1519678, 1519679 Original log message: Adding full bibliography for 1519678--1519679.cif.	1519678.cif
136647	2015-05-16	cif/ Adding structures of 1519678, 1519679 via cif-deposit CGI script.	1519678.cif