Crystallography Open Database

Information card for entry 4519122

4519121 << 4519122 >> 4519123

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Coordinates	4519122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H42 Cl N O5 P2 Pt S
Calculated formula	C48 H42 Cl N O5 P2 Pt S
Title of publication	Photophysical Properties of Cyclometalated Platinum(II) Diphosphine Compounds in the Solid State and in PMMA Films.
Authors of publication	Coffey, Belle; Clough, Lily; Bartkus, Daphne D.; McClellan, Ian C.; Greenberg, Matthew W.; LaFratta, Christopher N.; Tanski, Joseph M.; Anderson, Craig M.
Journal of publication	ACS omega
Year of publication	2021
Journal volume	6
Journal issue	42
Pages of publication	28316 - 28325
a	12.2464 ± 0.0009 Å
b	12.8292 ± 0.001 Å
c	15.963 ± 0.0012 Å
α	70.103 ± 0.001°
β	86.552 ± 0.001°
γ	65.453 ± 0.001°
Cell volume	2135.4 ± 0.3 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0547
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
270262 (current)	2021-11-03	cif/ Adding structures of 4519122 via cif-deposit CGI script.	4519122.cif