Crystallography Open Database

Information card for entry 7247802

Preview

Coordinates	7247802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H29 Cl2 N5 O3
Calculated formula	C31 H29 Cl2 N5 O3
Title of publication	Palladium-anchored donor-flexible pyridylidene amide (PYA) electrocatalysts for CO2 reduction
Authors of publication	Khurshid, Afshan; Tanveer, Tania; Hafeez, Komal; Ahmed, Maqsood; Akhtar, Zareen; Zafar, M. Naveed
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	49
Pages of publication	34817 - 34825
a	9.2037 ± 0.0004 Å
b	11.6728 ± 0.0005 Å
c	14.0506 ± 0.0006 Å
α	91.744 ± 0.001°
β	101.92 ± 0.002°
γ	109.87 ± 0.001°
Cell volume	1380.69 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1086
Residual factor for significantly intense reflections	0.0956
Weighted residual factors for significantly intense reflections	0.2561
Weighted residual factors for all reflections included in the refinement	0.2773
Goodness-of-fit parameter for all reflections included in the refinement	1.0674
Diffraction radiation probe	x-ray
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
287874 (current)	2023-11-30	cif/ Adding structures of 7247800, 7247801, 7247802 via cif-deposit CGI script.	7247802.cif