Crystallography Open Database

Information card for entry 1549210

Preview

Coordinates	1549210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 N2 Pt
Calculated formula	C30 H28 N2 Pt
SMILES	C(#[N]Cc1ccccc1)[Pt](C#[N]Cc1ccccc1)(c1ccc(cc1)C)c1ccc(cc1)C
Title of publication	Synthesis, structural characterization, biological evaluation and molecular docking studies of new platinum(ii) complexes containing isocyanides
Authors of publication	Fereidoonnezhad, Masood; Shahsavari, Hamid R.; Abedanzadeh, Sedigheh; Nezafati, Ali; Khazali, Ali; Mastrorilli, Piero; Babaghasabha, Mojgan; Webb, James; Faghih, Zeinab; Faghih, Zahra; Bahemmat, Samira; Beyzavi, M. Hassan
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	11
Pages of publication	8681
a	9.994 ± 0.002 Å
b	10.991 ± 0.002 Å
c	13.402 ± 0.003 Å
α	94.44 ± 0.03°
β	111.73 ± 0.03°
γ	106.35 ± 0.03°
Cell volume	1284.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
230520 (current)	2019-11-17	cif/ Updating files of 1549210 Original log message: Adding full bibliography for 1549210.cif.	1549210.cif
207241	2018-04-05	cif/ Adding structures of 1549210 via cif-deposit CGI script.	1549210.cif