Crystallography Open Database

Information card for entry 7719094

7719093 << 7719094 >> 8000000

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Coordinates	7719094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H68 N2 O6 P2 Pd2
Calculated formula	C66 H68 N2 O6 P2 Pd2
Title of publication	Sterically hindered P,N-type amidophosphines {(o-PPh2)C6H4}C(O) NH(R)}: synthesis, transition metal chemistry, and catalytic activity in stereoselective Heck coupling of aryl chlorides
Authors of publication	Sabharwal, Gazal; Dwivedi, Khilesh Chandra; Balakrishna, Maravanji Shivaramaiah
Journal of publication	Dalton Transactions
Year of publication	2025
a	20.1836 ± 0.0003 Å
b	14.8154 ± 0.0002 Å
c	19.177 ± 0.0003 Å
α	90°
β	91.964 ± 0.002°
γ	90°
Cell volume	5731.09 ± 0.15 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
301240 (current)	2025-07-12	cif/ Adding structures of 7719085, 7719086, 7719087, 7719088, 7719089, 7719090, 7719091, 7719092, 7719093, 7719094 via cif-deposit CGI script.	7719094.cif