Crystallography Open Database

Information card for entry 1558885

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Coordinates	1558885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 N6 Pt
Calculated formula	C22 H18 N6 Pt
SMILES	c1cccc2[n]1[Pt]1([N](c3ccccc3)=N2)[n]2ccccc2N=[N]1c1ccccc1
Title of publication	Size-selective Pt siderophores based on redox active azo-aromatic ligands
Authors of publication	Sengupta, Debabrata; Goswami, Sreetosh; Banerjee, Rajdeep; Guberman-Pfeffer, Matthew J.; Patra, Abhijeet; Dutta, Anirban; Pramanick, Rajib; Narasimhan, Shobhana; Pradhan, Narayan; Batista, Victor; Venkatesan, T.; Goswami, Sreebrata
Journal of publication	Chemical Science
Year of publication	2020
a	9.8643 ± 0.0019 Å
b	9.9442 ± 0.0019 Å
c	10.655 ± 0.002 Å
α	90°
β	112.053 ± 0.004°
γ	90°
Cell volume	968.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0294
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	0.856
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
255502 (current)	2020-08-21	cif/ Adding structures of 1558885 via cif-deposit CGI script.	1558885.cif