Crystallography Open Database

Information card for entry 7127366

Preview

Coordinates	7127366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H46 Cl N5 O5 P2 Pt
Calculated formula	C47 H46 Cl N5 O5 P2 Pt
SMILES	c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[PtH](=C1N(c2nc([nH]c(=O)c2N1C)N)[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Title of publication	On the reactivity of mRNA Cap0: C-H oxidative addition of 7-methylguanosine to Pt<sup>0</sup> and base pairing studies.
Authors of publication	Leitão, Maria Inês P S; Gonzalez, Carmen; Francescato, Giulia; Filipiak, Zuzanna; Petronilho, Ana
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	87
Pages of publication	13365 - 13368
a	14.809 ± 0.0007 Å
b	9.7032 ± 0.0004 Å
c	18.6573 ± 0.0009 Å
α	90°
β	113.307 ± 0.002°
γ	90°
Cell volume	2462.2 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1071
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
260709 (current)	2021-01-07	cif/ Updating files of 7127366 Original log message: Adding full bibliography for 7127366.cif.	7127366.cif
257188	2020-10-06	cif/ Adding structures of 7127366 via cif-deposit CGI script.	7127366.cif