Crystallography Open Database

Information card for entry 7243381

Preview

Coordinates	7243381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H42 N4 O4 Pt
Calculated formula	C28 H42 N4 O4 Pt
SMILES	c12c(cc(c(c1)CCCC)CCCC)[N]([Pt]1([N](c3c(cc(c(c3)CCCC)CCCC)N1O)=O)N2O)=O
Title of publication	Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex
Authors of publication	Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	36
Pages of publication	6359 - 6364
a	20.7074 ± 0.0011 Å
b	4.9052 ± 0.0002 Å
c	28.1381 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2858.1 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for all reflections	0.1074
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.1689
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
269680 (current)	2021-10-06	cif/ Updating files of 7243381, 7243382, 7243383, 7243384 Original log message: Adding full bibliography for 7243381--7243384.cif.	7243381.cif
268105	2021-08-18	cif/ Adding structures of 7243381, 7243382, 7243383, 7243384 via cif-deposit CGI script.	7243381.cif