Crystallography Open Database

Information card for entry 7060691

Preview

Coordinates	7060691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.5 H30.5 Cl N P Pd
Calculated formula	C29.5 H30.5 Cl N P Pd
Title of publication	Fluxional chloro-pyrrole‒Pd(ii) complex to cationic η2-pyrrole‒Pd(ii) complex: subtlety in structure-directed bonding mode
Authors of publication	Saha, Debajyoti; Sepay, Nayim
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	24
Pages of publication	10594 - 10598
a	25.378 ± 0.003 Å
b	10.2854 ± 0.0012 Å
c	21.374 ± 0.003 Å
α	90°
β	110.16 ± 0.001°
γ	90°
Cell volume	5237.3 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
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	0.0531
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
267208 (current)	2021-07-05	cif/ Updating files of 7060691, 7060692 Original log message: Adding full bibliography for 7060691--7060692.cif.	7060691.cif
265526	2021-05-27	cif/ Adding structures of 7060691, 7060692 via cif-deposit CGI script.	7060691.cif