Crystallography Open Database

Information card for entry 4514533

Preview

Coordinates	4514533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H38 Br2 N2 O Pt Si2
Calculated formula	C39 H38 Br2 N2 O Pt Si2
SMILES	O=C(C)C.[Pt]1([n]2cc(C#C[Si](C)(C)C)ccc2c2[n]1cc(C#C[Si](C)(C)C)cc2)(C#Cc1cccc(c1)Br)C#Cc1cccc(c1)Br
Title of publication	Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.
Authors of publication	Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	14
Pages of publication	13350 - 13358
a	10.0931 ± 0.0003 Å
b	11.0561 ± 0.0003 Å
c	17.8751 ± 0.0004 Å
α	99.897 ± 0.001°
β	94.373 ± 0.002°
γ	101.464 ± 0.002°
Cell volume	1913.17 ± 0.09 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
219718 (current)	2019-10-28	cif/ Adding structures of 4514533 via cif-deposit CGI script.	4514533.cif