Crystallography Open Database

Information card for entry 1573291

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Coordinates	1573291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H42 Cl2 P2 Pt
Calculated formula	C42 H42 Cl2 P2 Pt
Title of publication	Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.
Authors of publication	Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	16
Journal issue	1
Pages of publication	255 - 279
a	16.5978 ± 0.0013 Å
b	19.5096 ± 0.0013 Å
c	18.9329 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	6130.8 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
298103 (current)	2025-03-04	cif/ Updating files of 1573286, 1573287, 1573288, 1573289, 1573290, 1573291, 1573292, 1573293, 1573294, 1573295, 1573296, 1573297 Original log message: Adding full bibliography for 1573286--1573297.cif.	1573291.cif
296122	2024-11-27	cif/ Adding structures of 1573286, 1573287, 1573288, 1573289, 1573290, 1573291, 1573292, 1573293, 1573294, 1573295, 1573296, 1573297 via cif-deposit CGI script.	1573291.cif